magnesium;hydride;propanal

C3H8MgO — CID 173025513

IUPACmagnesium;hydride;propanal
SMILESCCC=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C3H6O.Mg.2H/c1-2-3-4;;;/h3H,2H2,1H3;;;/q;+2;2*-1
InChIKeyZQWUEWLWIJWKMA-UHFFFAOYSA-N
MW84.40 g/mol
LogP0.44
Rot. Bonds1

About magnesium;hydride;propanal

magnesium;hydride;propanal (PubChem CID 173025513) has the molecular formula C3H8MgO and a molecular weight of 84.40 g/mol. Its IUPAC name is magnesium;hydride;propanal.

Molecular Properties

Compound Namemagnesium;hydride;propanal
PubChem CID173025513
Molecular FormulaC3H8MgO
Molecular Weight84.40 g/mol
Exact Mass84.04
IUPAC Namemagnesium;hydride;propanal
SMILESCCC=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C3H6O.Mg.2H/c1-2-3-4;;;/h3H,2H2,1H3;;;/q;+2;2*-1
InChIKeyZQWUEWLWIJWKMA-UHFFFAOYSA-N
XLogP0.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.40
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze magnesium;hydride;propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;propanal?
The IUPAC name of magnesium;hydride;propanal (CID 173025513) is magnesium;hydride;propanal.
What is the SMILES notation for magnesium;hydride;propanal?
The canonical SMILES for magnesium;hydride;propanal is CCC=O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;propanal?
The InChIKey is ZQWUEWLWIJWKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.Mg.2H/c1-2-3-4;;;/h3H,2H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;propanal?
magnesium;hydride;propanal has a molecular weight of 84.40 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;propanal is sourced from PubChem (CID 173025513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).